Compounds

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ALA2104340
Name:
4-Amino-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-iodo-1H-pyrimShow More⌵
Mol. Formula:
C9H12IN3O4
M.W.:
353.12

Type:
Small molecule
AlogP:
-0.93
Polar Surface Area:
110.60
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA1234242
Name:
4-Amino-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrShow More⌵
Mol. Formula:
C10H15N3O4
M.W.:
241.25

Type:
Small molecule
AlogP:
-1.23
Polar Surface Area:
110.60
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA1230115
Name:
1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3,5-dimethyl-1H-pyrimidShow More⌵
Mol. Formula:
C11H16N2O5
M.W.:
256.26

Type:
Small molecule
AlogP:
-1.50
Polar Surface Area:
93.69
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA607917
Name:
P1-(adenosine-5')-P3-(thymidine-6)triphosphate
Mol. Formula:
C20H28N7O17P3
M.W.:
731.40
4 activity values
1 unique targets
Type:
Small molecule
AlogP:
-2.85
Polar Surface Area:
363.45
HBA:
20
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA160499
Name:
N-[2-Hydroxymethyl-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetShow More⌵
Mol. Formula:
C12H17N3O5
M.W.:
283.28
5 activity values
3 unique targets
Type:
Small molecule
AlogP:
-1.37
Polar Surface Area:
113.42
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE